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BDBM303049 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (8-methoxy-6- methylchroman-4- yl)pyrrolidine-2- carboxamide::US10660876, Cmpd No. 54::US9598446, Compound 54

SMILES: COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12

InChI Key: InChIKey=GFKAGABXEDPLPZ-GVEVBEQQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 303049   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM303049
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 |r|
Show InChI InChI=1S/C32H33FN6O5/c1-18-8-24-26(6-7-44-31(24)29(9-18)43-3)37-32(42)28-10-20(33)14-39(28)30(41)16-38-15-25(19(2)40)23-11-21(4-5-27(23)38)36-22-12-34-17-35-13-22/h4-5,8-9,11-13,15,17,20,26,28,36H,6-7,10,14,16H2,1-3H3,(H,37,42)/t20-,26?,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US10660876 (2020)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM303049
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 |r|
Show InChI InChI=1S/C32H33FN6O5/c1-18-8-24-26(6-7-44-31(24)29(9-18)43-3)37-32(42)28-10-20(33)14-39(28)30(41)16-38-15-25(19(2)40)23-11-21(4-5-27(23)38)36-22-12-34-17-35-13-22/h4-5,8-9,11-13,15,17,20,26,28,36H,6-7,10,14,16H2,1-3H3,(H,37,42)/t20-,26?,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



ACHILLION PHARMACEUTICALS, INC.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9598446 (2017)


BindingDB Entry DOI: 10.7270/Q2ST7RWF
More data for this
Ligand-Target Pair